Boc-6-Ahx-OSu

Base Information

• Chemical Name: Boc-6-Ahx-OSu
• CAS No.: 51513-80-5
• Molecular Formula: C15H24N2O6
• Molecular Weight: 328.365
• Hs Code.: 2925190090
• European Community (EC) Number: 628-461-9
• DSSTox Substance ID: DTXSID10408058
• Wikidata: Q82213422
• Mol file: 51513-80-5.mol

Synonyms:51513-80-5;Boc-6-Ahx-OSu;t-Boc-aminocaproic-N-hydroxysuccinimide;Boc-Acp-Osu;6-(Boc-amino)caproic acid N-succinimidyl ester;6-(N-Boc)caproic acid NHS;2,5-dioxopyrrolidin-1-yl 6-(tert-butoxycarbonylamino)hexanoate;(2,5-dioxopyrrolidin-1-yl) 6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate;Boc-Epsilon-Aminocaproic acid-OSu;6-(Boc-amino)hexanoic acid N-succinimidyl ester;MFCD00237379;2,5-Dioxopyrrolidin-1-yl 6-((tert-butoxycarbonyl)amino)hexanoate;Boc-6-aminohexanoic acid-OSu;Boc-epsilonAhx-OSu;C15H24N2O6;Boc-NH-C6-NHS;Boc--aminocaproic acid-OSu;Boc-e-aminocaproic acid-OSu;SCHEMBL337313;DTXSID10408058;TYJPSIQEEXOQLC-UHFFFAOYSA-N;Boc-epsilon- Aminocaproic acid-OSu;Succinimidyl N-boc-6-aminohexanoate;AKOS027384349;CS-W020853;FS-5935;HY-W040113;SY234431;Boc-6-Ahx-OSu, >=98.0% (TLC);Boc-Ahx-OSu;B5684;FT-0663430;2,5-Dioxopyrrolidin-1-yl 6-(boc)-hexanoate;C15899;2,5-dioxopyrrolidin-1-yl6-(tert-butoxycarbonylamino)hexanoate;N-tert-butoxycarbonyl-6-aminohexanoic acid succinimidyl ester;(2,5-dioxopyrrolidin-1-yl) 6-(tert-butoxycarbonylamino)hexanoate;6-[(tert-Butoxycarbonyl)amino]hexanoic Acid N-Succinimidyl Ester;6-[(tert-Butoxycarbonyl)amino]hexanoic Acid N-Succinimidyl Ester, >/=98%;6-tert-butoxycarbonylamino-hexanoic acid 2,5-dioxo-pyrrolidin-1-yl ester

Chemical Property of Boc-6-Ahx-OSu

Chemical Property:

• Appearance/Colour: Colouless Crystalline Solid
• Melting Point: 86-90 °C
• Refractive Index: 1.507
• PKA: 12.88±0.46(Predicted)
• PSA: 102.01000
• Density: 1.2 g/cm³
• LogP: 2.00750
• Storage Temp.: 2-8°C
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 10
• Exact Mass: 328.16343649
• Heavy Atom Count: 23
• Complexity: 453

Purity/Quality:

98%,99%, ^*data from raw suppliers

Boc-6-Aminohexanoic acid N-hydroxysuccinimide ester ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 38
• Safety Statements: 36/37

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NCCCCCC(=O)ON1C(=O)CCC1=O

Technology Process of Boc-6-Ahx-OSu

There total 3 articles about Boc-6-Ahx-OSu which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 95.0%

di(succinimido) carbonate (74124-79-1) + 6-(tert-butoxycarbonylamino)hexanoic acid (6404-29-1) → N-Boc-6-aminohexanoic acid N-hydroxysuccinimide ester (51513-80-5)

Guidance literature:

With triethylamine; In N,N-dimethyl-formamide; at 20 ℃; for 2h;

DOI:10.1021/ja2066972

Reference yield: 93.0%

1-hydroxy-pyrrolidine-2,5-dione (6066-82-6) + 6-(tert-butoxycarbonylamino)hexanoic acid (6404-29-1) → N-Boc-6-aminohexanoic acid N-hydroxysuccinimide ester (51513-80-5)

Guidance literature:

With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In N,N-dimethyl-formamide; for 24h; Ambient temperature;

DOI:10.1016/S0040-4020(98)00060-X

Reference yield:

6-(tert-butoxycarbonylamino)hexanoic acid (6404-29-1) + O-(N-succinimidyl)-N,N,N',N'-tetramethyluronium tetrafluoroborate (105832-38-0) → N-Boc-6-aminohexanoic acid N-hydroxysuccinimide ester (51513-80-5)

Guidance literature:

With triethylamine; In N,N-dimethyl-formamide; for 6h;

upstream raw materials:

1-hydroxy-pyrrolidine-2,5-dione

6-(tert-butoxycarbonylamino)hexanoic acid

di(succinimido) carbonate

O-(N-succinimidyl)-N,N,N',N'-tetramethyluronium tetrafluoroborate

Downstream raw materials:

benzyl 13-tert-butyloxycarbonylamino-8-oxo-7-azatridecanoate

N^ε-tert-butoxycarbonylaminocaproyl-β-benzyl-L-asparaginic acid α-amide

p-(N-Boc-6-aminohexanoyl)amino-phenyl-β-L-fucopyranoside

2-[(3S)-4-[2-[(benzyloxycarbonyl)amino]acetyl]-3-[3-[[6-[(tert-butoxycarbonyl)amino]hexanoyl]amino]propyl]-2-oxopiperazinyl]acetic acid

Refernces

• 1、 -. "METHODS AND COMPOSITIONS RELATED TO HEPARINOIDS". Paragraph 00070; 00080. . Retrieved 2021/07/17.
• 2、 -. "BIOCONJUGATES OF HETEROCYCLIC COMPOUNDS". Page/Page column 39-40. . Retrieved 2016/12/12.